N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide

C28H30FN3O — CID 16992537

IUPACN-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C28H30FN3O/c29-24-14-7-6-13-23(24)21-32-26-16-9-8-15-25(26)31-27(32)17-5-2-10-20-30-28(33)19-18-22-11-3-1-4-12-22/h1,3-4,6-9,11-16H,2,5,10,17-21H2,(H,30,33)
InChIKeyCQKJUZLZWLWZNY-UHFFFAOYSA-N
MW443.57 g/mol
LogP5.69
Rot. Bonds11

About N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide

N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide (PubChem CID 16992537) has the molecular formula C28H30FN3O and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
PubChem CID16992537
Molecular FormulaC28H30FN3O
Molecular Weight443.57 g/mol
Exact Mass443.24
IUPAC NameN-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C28H30FN3O/c29-24-14-7-6-13-23(24)21-32-26-16-9-8-15-25(26)31-27(32)17-5-2-10-20-30-28(33)19-18-22-11-3-1-4-12-22/h1,3-4,6-9,11-16H,2,5,10,17-21H2,(H,30,33)
InChIKeyCQKJUZLZWLWZNY-UHFFFAOYSA-N
XLogP5.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.57
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992530
N-[3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986020
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993346
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
3-phenyl-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]propanamide
CID 16986017
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992574
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985995

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
The IUPAC name of N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide (CID 16992537) is N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1F.
What is the InChIKey of N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
The InChIKey is CQKJUZLZWLWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O/c29-24-14-7-6-13-23(24)21-32-26-16-9-8-15-25(26)31-27(32)17-5-2-10-20-30-28(33)19-18-22-11-3-1-4-12-22/h1,3-4,6-9,11-16H,2,5,10,17-21H2,(H,30,33).
What are the key properties of N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide?
N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide has a molecular weight of 443.57 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide is sourced from PubChem (CID 16992537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).